Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL2397104 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP1A1CYP1A2CYP1B1MAPT | |
| SCHEMBL9035012 | 0.78 | CA1 (0.47) | ALDH1A1CYP1A2MAPTMAOBAOC3 | |
| SCHEMBL9035478 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP1A2MAPTPLK1LMNA | |
| SCHEMBL13802159 | 0.78 | ACHE (0.41) | ALDH1A1CYP1A2MAPTPPARAKDM4E | |
| SCHEMBL14265721 | 0.77 | CYP1A1 (0.45) | ALDH1A1CYP1A1CYP1A2CYP1B1SLC6A4 | |
| SCHEMBL3496791 | 0.76 | PPARA (0.53) | ALDH1A1CYP1A2MAPTPPARGPPARD | |
| SCHEMBL1889507 | 0.76 | MEN1 (0.39) | ALDH1A1CYP1A2MAPTPPARDPPARA | |
| SCHEMBL9165045 | 0.76 | NFE2L2 (0.39) | ALDH1A1MAPTPPARAGAASMN1; SMN2 | |
| SCHEMBL6210928 | 0.75 | CA4 (0.39) | ALDH1A1CYP1A2MAPTPPARGPPARD | |
| SCHEMBL25219752 | 0.74 | CA1 (0.44) | ALDH1A1CYP1A1CYP1B1PPARGPPARD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1034120-C | Pyridine derivatives | ZENECA LTD (GB) | 1997-02-26 | — | — | CN | disclosed |
| EP-0365328-B1 | Pyridine derivatives | ZENECA LTD (GB) | 1996-04-03 | — | — | EP | disclosed |
| US-5053415-A | Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-10-01 | — | — | US | disclosed |
| CN-1041942-A | Pyridine derivate | ICI PLC (GB) | 1990-05-09 | — | — | CN | disclosed |
| EP-0365328-A2 | Pyridine derivatives | ZENECA LIMITED (GB) | 1990-04-25 | — | — | EP | disclosed |